Lyudmila V. Slipchenko
Physics and Astronomy · Purdue University West Lafayette
Publications
140
Citations
14,909
Est. group size
~3
Recurring co-author estimate
Active years
25
Publishing since 2002
Lyudmila Slipchenko develops and applies computational chemistry methods to understand how molecules interact, especially in complex environments like proteins and solvents. Her work focuses on quantum chemistry techniques such as the effective fragment potential (EFP) method, combined with machine learning approaches, to model electronic structure, light absorption, and molecular interactions efficiently and accurately. This research supports applications ranging from drug-ligand binding to photosynthetic light-harvesting and materials for light emission.
Publication output has fluctuated over the last decade with peaks around 2017 and 2020, and has moderated in recent years, averaging about 4-5 papers annually over the last five years.
Generated by claude-sonnet-5 from public bibliographic data · Jul 20, 2026
- Beyond the cutoff: Hybrid ML/MM electrostatics for neural network potentials
The Journal of Chemical Physics · 2026
- Supporting Data for Leveraging the Transferability of EFP Parameters with the Flexible EFP Approach for the Calculation of Protein-Ligand Interaction Energies
Purdue University Research Repository · 2026
- Rationalizing protein–ligand interactions via the effective fragment potential method and structural data from classical molecular dynamics
The Journal of Chemical Physics · 2025
- In search of mechanism of aggregation-induced emission in carbazole and triphenylamine substituted ethenes: An approach based on spin-flip time dependent density functional theory and optimally tuned range-separated hybrid functional
The Journal of Chemical Physics · 2025
- Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Electronic Structure · 2024
- ANI/EFP: Modeling Long-Range Interactions in ANI Neural Network with Effective Fragment Potentials
Journal of Chemical Theory and Computation · 2024
- Capturing CO<sub>2</sub> in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO<sub>2</sub>)<i><sub>n</sub></i>, <i>n</i> = 1,2
The Journal of Physical Chemistry A · 2024
- The interplay of excitonic delocalization and vibrational localization in optical lineshapes: A variational polaron approach
The Journal of Chemical Physics · 2024
- Detangling Solvatochromic Effects by the Effective Fragment Potential Method
The Journal of Physical Chemistry A · 2024
- BROADBAND MICROWAVE AND COMPUTATIONAL STUDY OF HEXAFLUORO-O-XYLENE: HIGHLY COUPLED CF3 ROTORS
Proceedings of the 2021 International Symposium on Molecular Spectroscopy · 2021
- Recent developments in the general atomic and molecular electronic structure system
The Journal of Chemical Physics · 2020
- Exchange Repulsion in Quantum Mechanical/Effective Fragment Potential Excitation Energies: Beyond Polarizable Embedding
Journal of Chemical Theory and Computation · 2020
- Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database
Journal of Chemical Theory and Computation · 2020
- The unusual symmetry of hexafluoro-<i>o</i>-xylene—A microwave spectroscopy and computational study
The Journal of Chemical Physics · 2020
- BROADBAND MICROWAVE AND COMPUTATIONAL STUDY OF HEXAFLUORO-O-XYLENE: HIGHLY COUPLED CF3 ROTORS
Proceedings of the 2020 International Symposium on Molecular Spectroscopy · 2020
- The Journal of Physical Chemistry A×12
- The Journal of Chemical Physics×9
- The Journal of Physical Chemistry B×5
- Journal of Chemical Theory and Computation×5
- The Journal of Physical Chemistry Letters×4
- John M. Herbert
Physics and Astronomy · The Ohio State University
- Biswajit Biswas
Physics and Astronomy · The Ohio State University
- Sagarmoy Mandal
Physics and Astronomy · Purdue University West Lafayette
- Suranjan K. Paul
Physics and Astronomy · The Ohio State University
- Mike Reppert
Physics and Astronomy · Purdue University West Lafayette
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 20, 2026.
Claim or correct this profile